2-N-ethylpyrazine-2,3-diamine

• ChemBase ID: 66808
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1(c(nccn1)NCC)N
• Canonical SMILES: CCNc1nccnc1N
• InChI: InChI=1S/C6H10N4/c1-2-8-6-5(7)9-3-4-10-6/h3-4H,2H2,1H3,(H2,7,9)(H,8,10)
• InChIKey: FUHUMDWVJYSYSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-ethylpyrazine-2,3-diamine
• IUPAC Traditional name: 2-N-ethylpyrazine-2,3-diamine
• Synonyms: 2-Amino-3-(ethylamino)pyrazine

Database IDs

• CAS Number: 912773-15-0
• MDL Number: MFCD08460071
• PubChem SID: 162032544
• PubChem CID: 45789609

CALCULATED PROPERTIES

• Acid pKa: 19.408974
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.27298456
• LogD (pH = 7.4): -0.27252966
• Log P: -0.27252385
• Molar Refractivity: 42.014 cm^3
• Polarizability: 14.506908 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%